Structure of PDB 2hkm Chain D Binding Site BS01

Receptor Information
>2hkm Chain D (length=110) Species: 511 (Alcaligenes faecalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVNSCDYWRHCAVDGFLCSCCGGTTTTCPPGSTPSPISWIGTCHNPHDGK
DYLISYHDCCGKTACGRCQCNTQTRERPGYEFFLHNDVNWCMANENSTFH
CTTSVLVGLA
Ligand information
Ligand IDPEA
InChIInChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2/p+1
InChIKeyBHHGXPLMPWCGHP-UHFFFAOYSA-O
SMILES
SoftwareSMILES
CACTVS 3.341[NH3+]CCc1ccccc1
ACDLabs 10.04c1ccccc1CC[NH3+]
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC[NH3+]
FormulaC8 H12 N
Name2-PHENYLETHYLAMINE
ChEMBL
DrugBank
ZINC
PDB chain2hkm Chain D Residue 1402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2hkm Structure-reactivity correlations and kinetic isotope effects in aromatic amine dehydrogenase
Resolution1.5 Å
Binding residue
(original residue number in PDB)		D84 X109 D128 V158 N159 F169
Binding residue
(residue number reindexed from 1)		D14 X39 D58 V88 N89 F99
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S108 T133 F152
Catalytic site (residue number reindexed from 1) S38 T63 F82
Enzyme Commision number 1.4.9.2: aralkylamine dehydrogenase (azurin).
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0016638 oxidoreductase activity, acting on the CH-NH2 group of donors
GO:0030059 aralkylamine dehydrogenase (azurin) activity
Biological Process
GO:0009308 amine metabolic process
Cellular Component
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2hkm, PDBe:2hkm, PDBj:2hkm
PDBsum2hkm
PubMed
UniProtP84887|AAUA_ALCFA Aralkylamine dehydrogenase light chain (Gene Name=aauA)

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